2-[(4-nitrophenyl)methyl-(2-phosphonobutanoyl)amino]ethanoic acid

Systemtic Name: 2-[(4-nitrophenyl)methyl-(2-phosphonobutanoyl)amino]ethanoic acid Openeye Name: 2-[(4-nitrophenyl)methyl-(2-phosphonobutanoyl)amino]acetic acid CAS Name: 2-[(4-nitrophenyl)methyl-(1-oxo-2-phosphonobutyl)amino]acetic acid IUPAC Name: 2-[(4-nitrophenyl)methyl-(2-phosphonobutanoyl)amino]acetic acid Traditional Name: 2-[(4-nitrobenzyl)-(2-phosphonobutanoyl)amino]acetic acid Formula: C13H17N2O8P MolecularWeight: 360.256441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(CC1=CC=C(C=C1)[N+](=O)[O-])CC(=O)O)P(=O)(O)O

Isomeric SMILES

CCC(C(=O)N(CC1=CC=C(C=C1)[N+](=O)[O-])CC(=O)O)P(=O)(O)O

InChI

InChI=1S/C13H17N2O8P/c1-2-11(24(21,22)23)13(18)14(8-12(16)17)7-9-3-5-10(6-4-9)15(19)20/h3-6,11H,2,7-8H2,1H3,(H,16,17)(H2,21,22,23)